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Receptor
PDB id Resolution Class Description Source Keywords
1hpb 2.5 Å NON-ENZYME: BINDING THE BACTERIAL PERIPLASMIC HISTIDINE-BINDING PROTEIN: STRUCTU FUNCTION ANALYSIS OF THE LIGAND-BINDING SITE AND COMPARISONR ELATED PROTEINS SALMONELLA TYPHIMURIUM HISTIDINE-BINDING PROTEIN
Ref.: THE BACTERIAL PERIPLASMIC HISTIDINE-BINDING PROTEIN STRUCTURE/FUNCTION ANALYSIS OF THE LIGAND-BINDING S COMPARISON WITH RELATED PROTEINS. J.BIOL.CHEM. V. 269 4135 1994
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HIS P:240;
Valid;
none;
Kd = 0.03 uM
156.162 C6 H10 N3 O2 c1c([...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1HSL 1.89 Å NON-ENZYME: BINDING REFINED 1.89 ANGSTROMS STRUCTURE OF THE HISTIDINE-BINDING PROTEIN COMPLEXED WITH HISTIDINE AND ITS RELATIONSHIP WITH M ANY OTHER ACTIVE TRANSPORT(SLASH)CHEMOSENSORY RECEPTORS ESCHERICHIA COLI BINDING PROTEIN
Ref.: REFINED 1.89-A STRUCTURE OF THE HISTIDINE-BINDING PROTEIN COMPLEXED WITH HISTIDINE AND ITS RELATIONSHIP WITH MANY OTHER ACTIVE TRANSPORT/CHEMOSENSORY PROTEINS. BIOCHEMISTRY V. 33 4769 1994
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 1HSL Kd = 0.064 uM HIS C6 H10 N3 O2 c1c([nH+]c....
2 1HPB Kd = 0.03 uM HIS C6 H10 N3 O2 c1c([nH+]c....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 175 families.
1 1LAG Kd = 500 nM HIS C6 H10 N3 O2 c1c([nH+]c....
2 1LST - LYS C6 H15 N2 O2 C(CC[NH3+]....
3 1LAF Kd = 14 nM ARG C6 H15 N4 O2 C(C[C@@H](....
4 5OWF Kd = 1.59 uM GLN C5 H10 N2 O3 C(CC(=O)N)....
5 1LAH Kd = 30 nM ORN C5 H12 N2 O2 C(C[C@@H](....
6 1HSL Kd = 0.064 uM HIS C6 H10 N3 O2 c1c([nH+]c....
7 1HPB Kd = 0.03 uM HIS C6 H10 N3 O2 c1c([nH+]c....
50% Homology Family (28)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 149 families.
1 1WDN Kd = 0.5 uM GLN C5 H10 N2 O3 C(CC(=O)N)....
2 4POW Kd = 0.57 uM OP1 C11 H18 N4 O5 [H]/N=C(N)....
3 5ITO Kd = 68.9 uM 6DB C9 H18 N4 O4 [H]/N=C(/N....
4 5ITP Kd = 6.1 uM 6DB C9 H18 N4 O4 [H]/N=C(/N....
5 4POX Kd = 3.7 uM 2W2 C11 H20 N4 O6 [H]/N=C(/N....
6 5OTA Kd = 4.4 uM AQQ C8 H16 N2 O4 C[C@H](C(=....
7 4PP0 - OP1 C11 H18 N4 O5 [H]/N=C(N)....
8 2Y7I - ARG C6 H15 N4 O2 C(C[C@@H](....
9 4G4P Kd = 0.13 uM GLN C5 H10 N2 O3 C(CC(=O)N)....
10 2PVU Kd = 0.49 uM LYS C6 H15 N2 O2 C(CC[NH3+]....
11 2Q2C Kd = 0.42 uM HIS C6 H10 N3 O2 c1c([nH+]c....
12 4YMX Kd = 79 nM ARG C6 H15 N4 O2 C(C[C@@H](....
13 1LST - LYS C6 H15 N2 O2 C(CC[NH3+]....
14 1LAF Kd = 14 nM ARG C6 H15 N4 O2 C(C[C@@H](....
15 5OWF Kd = 1.59 uM GLN C5 H10 N2 O3 C(CC(=O)N)....
16 1LAH Kd = 30 nM ORN C5 H12 N2 O2 C(C[C@@H](....
17 2PYY Kd = 0.2 uM GLU C5 H9 N O4 C(CC(=O)O)....
18 1HSL Kd = 0.064 uM HIS C6 H10 N3 O2 c1c([nH+]c....
19 1HPB Kd = 0.03 uM HIS C6 H10 N3 O2 c1c([nH+]c....
20 3VV5 - SLZ C5 H12 N2 O2 S C(CSC[C@@H....
21 3VVE - LYS C6 H15 N2 O2 C(CC[NH3+]....
22 3VVF - ARG C6 H15 N4 O2 C(C[C@@H](....
23 3VVD - ORN C5 H12 N2 O2 C(C[C@@H](....
24 5L9O Kd = 4 uM GOP C11 H22 N2 O8 C(CC(=O)N)....
25 4ZV1 Kd = 5.7 uM ARG C6 H15 N4 O2 C(C[C@@H](....
26 4ZV2 Kd = 1.2 mM GLN C5 H10 N2 O3 C(CC(=O)N)....
27 5ORG Kd = 9 nM 6DB C9 H18 N4 O4 [H]/N=C(/N....
28 4KQP Kd = 1.49 uM GLN C5 H10 N2 O3 C(CC(=O)N)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HIS; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 HIS 1 1
2 DHI 1 1
3 HSO 0.52381 0.846154
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1HSL; Ligand: HIS; Similar sites found with APoc: 163
This union binding pocket(no: 1) in the query (biounit: 1hsl.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1USF NAP 1.1236
2 1USF FMN 1.1236
3 2ZCQ B65 1.2605
4 3IID APR 1.4218
5 3FSM 2NC 1.47783
6 1PEA ACM 1.68067
7 3GGU 017 2.0202
8 4RLQ 3SK 2.10084
9 1C96 FLC 2.10084
10 1GPE FAD 2.52101
11 1GSA GSH 2.52101
12 3LU1 NAD 2.52101
13 1BXG NAD 2.52101
14 1C1X NAD 2.52101
15 1BW9 NAD 2.52101
16 2BZ1 TAU 2.55102
17 4N6W FLC 2.63158
18 3HVJ 705 2.71493
19 5UC4 83S 2.72727
20 4ZDM GLY 2.94118
21 4MIG G3F 2.94118
22 3Q9T FAY 2.94118
23 5AHO TLA 2.94118
24 3EJR HN4 2.94118
25 2VOS ADP 2.94118
26 5MDH NAD 2.94118
27 1CT9 AMP 2.94118
28 1CT9 GLN 2.94118
29 4GQB 0XU 2.94118
30 4HK8 XYP XYP XYP XYP XYP XYP 3.1746
31 2Y4O DLL 3.36134
32 6B3V ANP 3.36134
33 3GDN FAD 3.36134
34 2CXG GLC G6D ACI GLC 3.36134
35 5E9G GLV 3.36134
36 3MMG GLU THR VAL ARG PHE GLN SER ASP 3.36134
37 2VD9 IN5 3.36134
38 2VD9 EPC 3.36134
39 5WSY 7UC 3.46821
40 1UPF URF 3.57143
41 5O0B 9FE 3.7037
42 2V6K TGG 3.73832
43 1U70 MTX 3.76344
44 1U70 NDP 3.76344
45 2PZM NAD 3.78151
46 2PZM UDP 3.78151
47 3NW7 LGV 3.78151
48 1NPD NAD 3.78151
49 1VI2 NAD 3.78151
50 2NX1 PEP 3.78151
51 4B2G V1N 3.78151
52 2NX1 RP5 3.78151
53 5DX8 SFG 3.78151
54 4ZTE 4RL 3.79147
55 3UC5 ATP 3.82166
56 2RHQ GAX 4.20168
57 2RAB NAD 4.20168
58 2RAB FAD 4.20168
59 5J6A P46 4.20168
60 4LHW GNP 4.5977
61 3ML1 MGD 4.62185
62 5TPR NAD 4.62185
63 1OFD AKG 4.62185
64 1OFD FMN 4.62185
65 1GET FAD 4.62185
66 2PTR 2SA 4.62185
67 3B8X G4M 4.62185
68 5DKK FMN 4.82759
69 4RJK PYR 5.04202
70 1DL5 SAH 5.04202
71 3CW9 AMP 5.04202
72 2WYA HMG 5.04202
73 3KA2 2NC 5.41872
74 1RO7 CSF 5.46218
75 1CZA G6P 5.46218
76 2WQQ CSF 5.46218
77 5EB4 FAD 5.46218
78 2X61 NGA GAL SIA 5.46218
79 2OI2 DP6 5.46218
80 5XVS NAG 5.46218
81 2X61 CH 5.46218
82 4MXP DB4 5.46218
83 5XVS UDP 5.46218
84 5NA1 FAD 5.88235
85 6HH6 A3R 5.88235
86 1AFS NAP 5.88235
87 1EU1 MGD 5.88235
88 2Z7I 742 6.30252
89 5L13 6ZE 6.30252
90 1Z4O GL1 6.33484
91 5WM2 AMP 6.72269
92 5WM2 SAL 6.72269
93 1KOJ PAN 6.72269
94 2F1K NAP 6.72269
95 5WQP NAP 6.83761
96 1N1D C2G 6.97674
97 5O4J 9KH 7.14286
98 5O4J SAH 7.14286
99 5O4J PJL 7.14286
100 1P3D UMA 7.14286
101 1P31 EPU 7.14286
102 6APL C5P 7.56302
103 2F5Z FAD 7.56302
104 4K26 NDP 7.56302
105 3QFA FAD 7.75862
106 4Z24 FAD 7.98319
107 5LV1 78T 7.98319
108 2RCA GLY 8.40336
109 4O67 1SY 8.40336
110 4WXJ GLU 8.82353
111 5G3U FDA 8.82353
112 4D57 ARG AMP 8.82353
113 1GUZ NAD 8.82353
114 3UWV 2PG 8.82353
115 2ZJ1 NAD 9.2437
116 2ZJ1 ARJ 9.2437
117 2IVF MD1 9.2437
118 6H3O FAD 9.66387
119 3FSY SCA 9.66387
120 4U7W NDP 9.66387
121 3FV1 DYH 10.084
122 5KMS NAD 10.084
123 5KMS FAD 10.084
124 1PBQ DK1 10.084
125 3BNK FMN 10.2041
126 5O2D 9HH 10.5
127 3R5T VBN 10.5042
128 5D6J ATP 10.8108
129 5OC1 FAD 10.9244
130 6ESN BWE 10.9244
131 5NI5 8YB 10.9244
132 4JDR FAD 12.1849
133 4OXI GAP 12.605
134 1PVN MZP 13.0252
135 4JK3 NAD 13.4454
136 1T90 NAD 13.8655
137 6FC1 MGP 14.0625
138 1SIV PSI 14.1414
139 1EZ0 NAP 15.5462
140 5AA4 6X4 22.2689
141 5B48 TDN 24.7899
142 2YJP CYS 26.0504
143 2RC8 DSN 28.9916
144 1II5 GLU 30.9013
145 4DZ1 DAL 31.9328
146 5CC2 CKA 34.874
147 5DT6 GLU 36.5546
148 4IO2 GLU 37.8151
149 5O4F 8VE 37.8151
150 1M5B BN1 38.2353
151 5CMK LY5 38.6555
152 5CMK GLU 38.6555
153 5DEX GLY 39.0756
154 4JWX 1N4 39.0756
155 5DEX 5E0 39.0756
156 3OEN GLU 39.916
157 5IKB KAI 39.916
158 4F2Q QUS 40.7563
159 2Q89 6CS 42.437
160 1XT8 CYS 44.1176
161 6GPC ARG 44.4444
162 2VHA GLU 44.5378
163 2YLN CYS 48.3193
Pocket No.: 2; Query (leader) PDB : 1HSL; Ligand: HIS; Similar sites found with APoc: 59
This union binding pocket(no: 2) in the query (biounit: 1hsl.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 3D72 FAD None
2 1VQ2 DDN 1.03627
3 2PGJ N1C 1.2605
4 6FCH PRP 1.68539
5 4JD0 1KH 2.10084
6 1MZV AMP 2.12766
7 4FBL SPD 2.52101
8 2YI0 YI0 2.62009
9 3BF1 PAU 2.94118
10 3LAD FAD 2.94118
11 3VPH NAD 2.94118
12 4WB6 ATP 2.94118
13 3VPH OXM 2.94118
14 5VKT NAP 2.94118
15 4YMH SAH 2.94118
16 3IS2 FAD 3.24675
17 1UDY FAD 3.36134
18 4FJU NAI 3.36134
19 2RCU BUJ 3.36134
20 1NJF AGS 3.36134
21 5K8P 6R8 3.36134
22 5GM5 CBI 3.63636
23 6G1P CIT 3.78151
24 2QBU SAH 4.31034
25 5NUF NAD 4.62185
26 1MOQ GLP 4.62185
27 2IO8 ADP 4.62185
28 1Q19 APC 4.62185
29 1O6Z NAD 4.62185
30 1YQD NAP 5.04202
31 1Y1P NMN AMP PO4 5.04202
32 1HE1 GDP 5.18518
33 3RHC GSH 5.30973
34 3GPO APR 5.35714
35 5L0U 660 5.46218
36 1N4H REA 5.88235
37 1L5J TRA 5.88235
38 5CSD ACD 6.28931
39 6ES9 FAD 6.30252
40 1XTT U5P 6.48148
41 5T67 SAH 7.14286
42 5T67 JHZ 7.14286
43 1USI PHE 7.14286
44 5BTX CMP 7.53425
45 1U8V FAD 7.56302
46 4R38 RBF 7.85714
47 1O5O U5P 8.59729
48 4KBB BGC GAL SIA NGA GAL SIA 8.82353
49 1GV0 NAD 8.82353
50 4YGF AZM 9.82906
51 5J7X FAD 10.9244
52 2QCD U5P 10.9244
53 5NB7 8NQ 11.7391
54 2HGS GSH 12.605
55 2BLE 5GP 13.8655
56 6DA9 FMN 13.8655
57 5DJU FMN 19.6721
58 4WW8 VD9 21.8487
59 2GAG NAD 21.9048
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